(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine

C9H15F2N — CID 115014470

IUPAC(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine
SMILESNCC1(C2CCC2)CC(F)(F)C1
InChIInChI=1S/C9H15F2N/c10-9(11)4-8(5-9,6-12)7-2-1-3-7/h7H,1-6,12H2
InChIKeyDZACZGQCZKEHDS-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds2

About (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine

(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine (PubChem CID 115014470) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine.

Molecular Properties

Compound Name(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine
PubChem CID115014470
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine
SMILESNCC1(C2CCC2)CC(F)(F)C1
InChIInChI=1S/C9H15F2N/c10-9(11)4-8(5-9,6-12)7-2-1-3-7/h7H,1-6,12H2
InChIKeyDZACZGQCZKEHDS-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

{6,6-Difluorospiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 72207783
(1-Cyclobutylcyclobutyl)methanamine hydrochloride
CID 121553109
[2-(Trifluoromethyl)spiro[3.3]heptan-2-yl]methanamine
CID 137949938
[2-(Difluoromethyl)spiro[3.3]heptan-2-yl]methanamine hydrochloride
CID 145913495
1-(9,9-Difluorodispiro(3.0.3^(5).1^(4))nonan-2-yl)methanamine
CID 146049927
1-(3,3-Difluorospiro(3.3)heptan-1-yl)methanamine hydrochloride
CID 155820130
2-{Bicyclo[1.1.1]pentan-1-yl}-2,2-difluoroethan-1-amine hydrochloride
CID 155858358
1-[3-(1,1-Difluoroethyl)bicyclo[1.1.1]pentan-1-yl]methanamine hydrochloride
CID 155943612
1-(6-(Trifluoromethyl)spiro(3.3)heptan-2-yl)methanamine hydrochloride
CID 167715874
{6,6-Difluorospiro[3.3]heptan-2-yl}methanamine
CID 72207784
1-[3,3-Difluoro-1-(propan-2-yl)cyclobutyl]methanamine
CID 115012836
2-[3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]ethan-1-amine
CID 118937908

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine?
The IUPAC name of (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine (CID 115014470) is (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine.
What is the SMILES notation for (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine?
The canonical SMILES for (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine is NCC1(C2CCC2)CC(F)(F)C1.
What is the InChIKey of (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine?
The InChIKey is DZACZGQCZKEHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)4-8(5-9,6-12)7-2-1-3-7/h7H,1-6,12H2.
What are the key properties of (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine?
(1-cyclobutyl-3,3-difluorocyclobutyl)methanamine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-3,3-difluorocyclobutyl)methanamine is sourced from PubChem (CID 115014470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).